Geometry & MOs

Info

ID:	412750
PubChem CID:	135085667
Reduced:	BrZnO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	305.0182
ΔH_f, kcal/mol:	51.16
Dipole, Da:	4.75
IP(EA), eV:	-9.41(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R)-1-amino-3-(4-bromophenyl)cyclopentyl]methanol;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#[C-])OC.[Zn+]Br

DOS

IR

Vibrations